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Searched defs:unoccupied_evals (Results 1 – 8 of 8) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dxas_env_types.F92 REAL(dp), DIMENSION(:), POINTER :: unoccupied_evals component
157 unoccupied_orbs, unoccupied_evals, unoccupied_max_iter, unoccupied_eps, & argument
179 REAL(dp), DIMENSION(:), OPTIONAL, POINTER :: unoccupied_evals local
H A Dstm_images.F93 unoccupied_evals) argument
99 TYPE(cp_1d_r_p_type), DIMENSION(:), POINTER :: unoccupied_evals local
H A Dqs_scf_post_tb.F943 SUBROUTINE make_lumo_tb(qs_env, scf_env, unoccupied_orbs, unoccupied_evals, nlumo, nlumos) argument
948 TYPE(cp_1d_r_p_type), DIMENSION(:), POINTER :: unoccupied_evals local
H A Dqs_scf_post_gpw.F256 TYPE(cp_1d_r_p_type), DIMENSION(:), POINTER :: occupied_evals, unoccupied_evals, & local
746 SUBROUTINE make_lumo_gpw(qs_env, scf_env, unoccupied_orbs, unoccupied_evals, nlumo, nlumos) argument
751 TYPE(cp_1d_r_p_type), DIMENSION(:), POINTER :: unoccupied_evals local
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dxas_env_types.F92 REAL(dp), DIMENSION(:), POINTER :: unoccupied_evals component
157 unoccupied_orbs, unoccupied_evals, unoccupied_max_iter, unoccupied_eps, & argument
179 REAL(dp), DIMENSION(:), OPTIONAL, POINTER :: unoccupied_evals local
H A Dstm_images.F93 unoccupied_evals) argument
99 TYPE(cp_1d_r_p_type), DIMENSION(:), POINTER :: unoccupied_evals local
H A Dqs_scf_post_tb.F920 SUBROUTINE make_lumo(qs_env, scf_env, unoccupied_orbs, unoccupied_evals, nlumo, nlumos) argument
925 TYPE(cp_1d_r_p_type), DIMENSION(:), POINTER :: unoccupied_evals local
H A Dqs_scf_post_gpw.F254 TYPE(cp_1d_r_p_type), DIMENSION(:), POINTER :: occupied_evals, unoccupied_evals, & local
744 SUBROUTINE make_lumo(qs_env, scf_env, unoccupied_orbs, unoccupied_evals, nlumo, nlumos) argument
749 TYPE(cp_1d_r_p_type), DIMENSION(:), POINTER :: unoccupied_evals local